3-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanyl-N-(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)propanamide

Systemtic Name: 3-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanyl-N-(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)propanamide Openeye Name: 3-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanyl]-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide CAS Name: 3-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide IUPAC Name: 3-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide Traditional Name: 3-[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]-N-(5-keto-1-phenyl-3-pyrazolin-3-yl)propionamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SCCC(=O)NC2=CC(=O)N(N2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SCCC(=O)NC2=CC(=O)N(N2)C3=CC=CC=C3)C

InChI

InChI=1S/C21H21N5O2S/c1-13-14(2)17(12-22)21(23-15(13)3)29-10-9-19(27)24-18-11-20(28)26(25-18)16-7-5-4-6-8-16/h4-8,11,25H,9-10H2,1-3H3,(H,24,27)